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We perform ab initio calculations of charged graphene and single-wall carbonnanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Bothnanotubes and graphene expand upon electron injection. (2) Upon hole injection,metallic nanotubes and graphene display a non-monotonic behavior: Uponincreasing hole densities, the lattice constant initially contracts, reaches aminimum, and then starts to expand. The hole densities at minimum latticeconstants are 0.3 |e|/atom for graphene and between 0.1 and 0.3 |e|/atom forthe metallic nanotubes studied. (3)Semiconducting CNTs with small diameters (d<~ 20 A) always expand upon hole injection; (4) Semiconducting CNTs with largediameters (d >~ 20 A) display a behavior intermediate between those of metallicand large-gap CNTs. (5) The strain versus extra charge displays a linear pluspower-law behavior, with characteristic exponents for graphene, metallic, andsemiconducting CNTs. All these features are physically understood within asimple tight-binding total-energy model.Comment: Submitted to Physical Review Letters on May 23rd 200

Electromechanical effects in carbon nanotubes:Ab initioand analytical tight-binding calculations